(3-nitrophenyl)methyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3-nitrophenyl)methyl 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid (3-nitrobenzyl) ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O7/c21-16(18-13-4-2-6-15(10-13)20(25)26)7-8-17(22)27-11-12-3-1-5-14(9-12)19(23)24/h1-6,9-10H,7-8,11H2,(H,18,21)